Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r3w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N ASP 3.A OD1 no hydrogen 3.021 N/A PHE 8.A N PHE 5.A O no hydrogen 3.023 N/A GLY 9.A N VAL 24.A O no hydrogen 2.804 N/A GLU 11.A N ALA 22.A O no hydrogen 2.835 N/A TRP 12.A NE1 TRP 67.A O no hydrogen 3.173 N/A ILE 13.A N ILE 20.A O no hydrogen 2.760 N/A THR 15.A OG1 GLY 18.A O no hydrogen 2.569 N/A SER 16.A N GLU 91.A OE1 no hydrogen 2.857 N/A SER 16.A OG GLU 91.A OE1 no hydrogen 3.127 N/A SER 16.A OG GLU 91.A OE2 no hydrogen 2.549 N/A SER 17.A N THR 15.A OG1 no hydrogen 3.022 N/A GLY 18.A N THR 15.A O no hydrogen 3.106 N/A ARG 19.A N ASP 69.A OD1 no hydrogen 2.837 N/A ARG 19.A NE ASP 69.A OD1 no hydrogen 3.122 N/A ARG 19.A NE ASP 69.A OD2 no hydrogen 3.351 N/A ARG 19.A NH1 ASP 69.A OD2 no hydrogen 2.900 N/A ILE 20.A N ILE 13.A O no hydrogen 2.892 N/A PHE 21.A N SER 68.A OG no hydrogen 2.938 N/A ALA 22.A N GLU 11.A O no hydrogen 2.903 N/A ARG 23.A N VAL 59.A O no hydrogen 2.939 N/A ARG 23.A NE GLY 9.A O no hydrogen 2.941 N/A ARG 23.A NH1 ASP 3.A OD1 no hydrogen 2.988 N/A ARG 23.A NH1 PHE 8.A O no hydrogen 2.829 N/A ARG 23.A NH2 ASP 3.A OD1 no hydrogen 2.905 N/A VAL 24.A N GLY 9.A O no hydrogen 3.075 N/A GLY 25.A N VAL 57.A O no hydrogen 2.906 N/A ASP 27.A N PHE 55.A O no hydrogen 3.202 N/A LEU 31.A N LYS 56.A O no hydrogen 2.796 N/A LEU 32.A N ALA 102.A O no hydrogen 2.908 N/A LEU 33.A N ILE 58.A O no hydrogen 2.872 N/A LEU 34.A N ALA 104.A O no hydrogen 2.881 N/A HIS 35.A ND1 GLY 36.A O no hydrogen 2.853 N/A PHE 37.A N ASN 107.A OD1 no hydrogen 2.833 N/A GLN 39.A N GLY 36.A O no hydrogen 2.889 N/A GLN 39.A NE2 GLU 279.A OE2 no hydrogen 2.901 N/A HIS 41.A N ASP 61.A OD1 no hydrogen 2.917 N/A HIS 41.A ND1 ASP 61.A OD1 no hydrogen 2.810 N/A VAL 42.A N THR 40.A OG1 no hydrogen 3.402 N/A MET 43.A N.A THR 40.A O no hydrogen 3.180 N/A MET 43.A N.B THR 40.A O no hydrogen 3.186 N/A TRP 44.A N HIS 41.A O no hydrogen 3.243 N/A HIS 45.A N VAL 42.A O no hydrogen 2.842 N/A VAL 47.A N TRP 44.A O no hydrogen 3.193 N/A ALA 48.A N TRP 44.A O no hydrogen 2.931 N/A LEU 51.A N VAL 47.A O no hydrogen 3.074 N/A ALA 52.A N ALA 48.A O no hydrogen 2.856 N/A GLU 53.A N LYS 50.A O no hydrogen 3.300 N/A ARG 54.A N LEU 51.A O no hydrogen 3.034 N/A PHE 55.A N LEU 51.A O no hydrogen 2.919 N/A LYS 56.A N PRO 29.A O no hydrogen 2.893 N/A LYS 56.A NZ GLY 26.A O no hydrogen 3.312 N/A VAL 57.A N GLY 25.A O no hydrogen 2.822 N/A ILE 58.A N LEU 31.A O no hydrogen 2.838 N/A VAL 59.A N ARG 23.A O no hydrogen 2.754 N/A ALA 60.A N LEU 33.A O no hydrogen 3.335 N/A ASP 61.A N PHE 21.A O no hydrogen 2.841 N/A LEU 62.A N HIS 35.A NE2 no hydrogen 3.026 N/A GLY 64.A N ASP 69.A O no hydrogen 2.918 N/A TYR 65.A N LEU 62.A O no hydrogen 2.947 N/A TYR 65.A OH ASP 215.A OD1 no hydrogen 2.612 N/A TRP 67.A N ASP 61.A OD2 no hydrogen 2.870 N/A SER 68.A N TYR 65.A O no hydrogen 2.923 N/A SER 68.A OG ASP 61.A O no hydrogen 2.835 N/A ASP 69.A N ARG 19.A O no hydrogen 2.889 N/A SER 73.A OG GLU 214.A OE1 no hydrogen 2.572 N/A ASP 74.A N SER 73.A OG no hydrogen 2.816 N/A GLN 76.A N ASP 74.A OD2 no hydrogen 2.897 N/A HIS 77.A N ASP 74.A O no hydrogen 2.944 N/A HIS 77.A ND1 GLU 214.A OE1 no hydrogen 2.789 N/A THR 78.A N ASP 74.A OD2 no hydrogen 3.123 N/A THR 78.A OG1 ASP 74.A OD1 no hydrogen 2.766 N/A THR 78.A OG1 ASP 74.A OD2 no hydrogen 3.027 N/A TYR 80.A N HIS 77.A O no hydrogen 2.996 N/A TYR 80.A OH PRO 71.A O no hydrogen 2.673 N/A THR 81.A N HIS 77.A O no hydrogen 3.204 N/A THR 81.A N THR 78.A O no hydrogen 3.090 N/A THR 81.A OG1 THR 78.A O no hydrogen 2.685 N/A LYS 82.A N ASP 223.A OD1 no hydrogen 2.906 N/A LYS 82.A NZ TYR 80.A O no hydrogen 2.803 N/A LYS 82.A NZ ASP 215.A O no hydrogen 3.544 N/A LYS 82.A NZ ASP 215.A OD2 no hydrogen 2.734 N/A LYS 82.A NZ ASP 223.A OD2 no hydrogen 2.846 N/A ARG 83.A NE ASP 119.A OD2 no hydrogen 2.846 N/A ARG 83.A NH1 ASP 119.A OD1 no hydrogen 2.965 N/A ALA 84.A N THR 81.A OG1 no hydrogen 3.221 N/A MET 85.A N THR 81.A O no hydrogen 2.871 N/A ALA 86.A N LYS 82.A O no hydrogen 2.915 N/A LYS 87.A N ARG 83.A O no hydrogen 3.119 N/A GLN 88.A N ALA 84.A O no hydrogen 2.928 N/A GLN 88.A NE2 GLY 18.A O no hydrogen 3.072 N/A LEU 89.A N MET 85.A O no hydrogen 2.941 N/A ILE 90.A N ALA 86.A O no hydrogen 2.894 N/A GLU 91.A N LYS 87.A O no hydrogen 3.038 N/A ALA 92.A N GLN 88.A O no hydrogen 2.943 N/A MET 93.A N LEU 89.A O no hydrogen 2.893 N/A GLU 94.A N ILE 90.A O no hydrogen 2.955 N/A GLN 95.A N GLU 91.A O no hydrogen 2.983 N/A LEU 96.A N MET 93.A O no hydrogen 2.926 N/A GLY 97.A N GLU 94.A O no hydrogen 2.972 N/A HIS 98.A N MET 93.A O no hydrogen 2.851 N/A HIS 100.A ND1 GLY 122.A O no hydrogen 2.891 N/A PHE 101.A N ARG 123.A O no hydrogen 2.890 N/A ALA 102.A N PRO 30.A O no hydrogen 2.981 N/A LEU 103.A N LYS 126.A O no hydrogen 3.192 N/A ALA 104.A N LEU 32.A O no hydrogen 2.907 N/A GLY 105.A N ALA 128.A O no hydrogen 2.969 N/A HIS 106.A N LEU 34.A O no hydrogen 2.946 N/A HIS 106.A NE2 HIS 275.A O no hydrogen 2.782 N/A ASN 107.A N LEU 130.A O no hydrogen 3.425 N/A ASN 107.A ND2 HIS 275.A NE2 no hydrogen 2.786 N/A ARG 108.A N ASN 107.A OD1 no hydrogen 2.717 N/A ARG 108.A NE ASP 215.A OD1 no hydrogen 3.518 N/A ARG 108.A NE ASP 215.A OD2 no hydrogen 2.847 N/A ARG 108.A NH2 ASP 215.A O no hydrogen 3.274 N/A ARG 108.A NH2 ASP 215.A OD2 no hydrogen 2.910 N/A ALA 110.A N HIS 106.A O no hydrogen 3.373 N/A ALA 110.A N ASN 107.A O no hydrogen 2.887 N/A ARG 111.A N ASN 107.A O no hydrogen 3.216 N/A ARG 111.A NH2 LEU 133.A O no hydrogen 2.730 N/A ARG 111.A NH2 THR 135.A OG1 no hydrogen 3.035 N/A VAL 112.A N ARG 108.A O no hydrogen 2.934 N/A SER 113.A N GLY 109.A O no hydrogen 3.100 N/A SER 113.A OG GLY 109.A O no hydrogen 2.824 N/A TYR 114.A N ALA 110.A O no hydrogen 3.041 N/A TYR 114.A OH ASP 227.A OD1 no hydrogen 3.394 N/A TYR 114.A OH ASP 227.A OD2 no hydrogen 2.443 N/A ARG 115.A N ARG 111.A O no hydrogen 3.036 N/A ARG 115.A NH1 ASP 119.A OD1 no hydrogen 2.981 N/A ARG 115.A NH1 ASP 230.A OD2 no hydrogen 2.656 N/A ARG 115.A NH2 ASP 227.A OD1 no hydrogen 2.832 N/A ARG 115.A NH2 ASP 230.A OD2 no hydrogen 2.854 N/A LEU 116.A N VAL 112.A O no hydrogen 2.858 N/A ALA 117.A N SER 113.A O no hydrogen 3.023 N/A LEU 118.A N TYR 114.A O no hydrogen 2.881 N/A ASP 119.A N ARG 115.A O no hydrogen 2.908 N/A ASP 119.A N LEU 116.A O no hydrogen 3.248 N/A SER 120.A N LEU 116.A O no hydrogen 2.690 N/A ARG 123.A N SER 120.A O no hydrogen 2.985 N/A ARG 123.A NH1 GLU 94.A OE1 no hydrogen 3.005 N/A ARG 123.A NH2 GLU 94.A OE1 no hydrogen 2.658 N/A LEU 124.A N PRO 121.A O no hydrogen 3.075 N/A SER 125.A N PHE 101.A O no hydrogen 2.871 N/A LYS 126.A NZ PHE 292.A O no hydrogen 2.788 N/A LEU 127.A N PRO 240.A O no hydrogen 2.980 N/A ALA 128.A N LEU 103.A O no hydrogen 2.720 N/A VAL 129.A N LEU 242.A O no hydrogen 2.897 N/A LEU 130.A N GLY 105.A O no hydrogen 2.848 N/A ASP 131.A N LEU 244.A O no hydrogen 2.841 N/A THR 135.A N TYR 114.A OH no hydrogen 2.905 N/A TYR 136.A N ASP 227.A OD2 no hydrogen 3.035 N/A TYR 138.A N PRO 134.A O no hydrogen 3.048 N/A TYR 138.A OH ILE 150.A O no hydrogen 2.969 N/A TRP 139.A N THR 135.A O no hydrogen 3.166 N/A TRP 139.A NE1 GLY 219.A O no hydrogen 2.984 N/A GLN 140.A N TYR 136.A O no hydrogen 2.835 N/A ARG 141.A N GLU 137.A O no hydrogen 3.118 N/A ARG 141.A NH2 GLU 137.A O no hydrogen 3.340 N/A ARG 141.A NH2 GLU 137.A OE1 no hydrogen 2.357 N/A MET 142.A N TRP 139.A O no hydrogen 3.032 N/A TYR 146.A N ASN 143.A OD1 no hydrogen 2.952 N/A ALA 147.A N ASN 143.A O no hydrogen 2.760 N/A LEU 148.A N ARG 144.A O no hydrogen 3.017 N/A LYS 149.A N ALA 145.A O no hydrogen 2.999 N/A ILE 150.A N TYR 146.A O no hydrogen 2.994 N/A HIS 152.A NE2 TYR 216.A OH no hydrogen 2.960 N/A PHE 155.A N TYR 151.A O no hydrogen 3.169 N/A LEU 156.A N HIS 152.A O no hydrogen 2.970 N/A GLN 158.A N PHE 155.A O no hydrogen 3.161 N/A GLN 158.A NE2 SER 154.A O no hydrogen 2.850 N/A LEU 162.A N PRO 159.A O no hydrogen 3.161 N/A GLU 164.A N GLU 164.A OE2 no hydrogen 2.804 N/A ASN 165.A N.A PRO 161.A O no hydrogen 2.739 N/A ASN 165.A N.B PRO 161.A O no hydrogen 2.712 N/A LEU 166.A N LEU 162.A O no hydrogen 3.110 N/A LEU 167.A N PRO 163.A O no hydrogen 2.908 N/A GLY 168.A N ASN 165.A O.B no hydrogen 3.324 N/A PHE 173.A N ASP 170.A O no hydrogen 3.161 N/A TYR 174.A N ASP 170.A O no hydrogen 3.440 N/A TYR 174.A OH TYR 151.A OH no hydrogen 2.723 N/A VAL 175.A N PRO 171.A O no hydrogen 3.141 N/A LYS 176.A N ASP 172.A O no hydrogen 3.042 N/A ALA 177.A N PHE 173.A O no hydrogen 2.957 N/A LYS 178.A N TYR 174.A O no hydrogen 2.973 N/A LYS 178.A NZ TYR 151.A OH no hydrogen 2.611 N/A LYS 178.A NZ TYR 174.A OH no hydrogen 3.393 N/A LEU 179.A N VAL 175.A O no hydrogen 3.039 N/A ALA 180.A N LYS 176.A O no hydrogen 3.085 N/A SER 181.A N ALA 177.A O no hydrogen 2.882 N/A SER 181.A OG ALA 177.A O no hydrogen 2.787 N/A TRP 182.A N LYS 178.A O no hydrogen 3.238 N/A THR 183.A N ALA 180.A O no hydrogen 3.123 N/A THR 183.A OG1 ALA 180.A O no hydrogen 2.713 N/A THR 183.A OG1 ASP 187.A O no hydrogen 3.134 N/A ARG 184.A N GLU 280.A OE1 no hydrogen 2.832 N/A ARG 184.A NE GLU 272.A OE1 no hydrogen 2.857 N/A ARG 184.A NH1 ARG 184.A O no hydrogen 3.199 N/A GLY 186.A N THR 183.A OG1 no hydrogen 3.012 N/A SER 189.A N ASP 187.A OD1 no hydrogen 2.849 N/A SER 189.A OG ASP 187.A OD1 no hydrogen 2.709 N/A PHE 191.A N LEU 188.A O no hydrogen 3.164 N/A ARG 194.A N ASP 192.A OD2 no hydrogen 2.980 N/A ARG 194.A NE ASP 192.A OD2 no hydrogen 3.095 N/A ARG 194.A NH1 ASP 192.A OD1 no hydrogen 2.846 N/A VAL 196.A N ASP 192.A O no hydrogen 3.059 N/A GLU 197.A N PRO 193.A O no hydrogen 3.038 N/A HIS 198.A N ARG 194.A O no hydrogen 3.308 N/A HIS 198.A NE2 ALA 2.A O no hydrogen 2.878 N/A TYR 199.A N ALA 195.A O no hydrogen 3.049 N/A TYR 199.A OH GLU 279.A OE1 no hydrogen 2.595 N/A ARG 200.A N VAL 196.A O no hydrogen 2.749 N/A ARG 200.A NE GLU 197.A OE2 no hydrogen 2.887 N/A ARG 200.A NH1 GLU 197.A OE1 no hydrogen 2.865 N/A ARG 200.A NH2 ASP 172.A OD1 no hydrogen 3.007 N/A ARG 200.A NH2 ASP 172.A OD2 no hydrogen 3.438 N/A ILE 201.A N GLU 197.A O no hydrogen 2.886 N/A ALA 202.A N HIS 198.A O no hydrogen 3.146 N/A PHE 203.A N TYR 199.A O no hydrogen 3.006 N/A ALA 204.A N ARG 200.A O no hydrogen 2.940 N/A ALA 204.A N ILE 201.A O no hydrogen 3.261 N/A ASP 205.A N ALA 202.A O no hydrogen 3.200 N/A MET 207.A N.A ASP 205.A OD1 no hydrogen 2.873 N/A MET 207.A N.B ASP 205.A OD1 no hydrogen 2.900 N/A ARG 208.A NH1 SER 68.A O no hydrogen 3.059 N/A ARG 208.A NH2 GLY 64.A O no hydrogen 2.911 N/A ARG 208.A NH2 SER 68.A O no hydrogen 2.773 N/A ARG 209.A N ASP 205.A O no hydrogen 3.024 N/A ARG 209.A NH2 PHE 203.A O no hydrogen 2.845 N/A HIS 210.A N PRO 206.A O no hydrogen 2.938 N/A HIS 210.A ND1 GLU 164.A OE1 no hydrogen 2.787 N/A VAL 211.A N MET 207.A O.A no hydrogen 3.364 N/A VAL 211.A N MET 207.A O.B no hydrogen 3.129 N/A MET 212.A N ARG 208.A O no hydrogen 3.161 N/A CYS 213.A N ARG 209.A O no hydrogen 2.985 N/A CYS 213.A SG ARG 209.A O no hydrogen 3.530 N/A GLU 214.A N HIS 210.A O no hydrogen 2.864 N/A ASP 215.A N VAL 211.A O no hydrogen 2.736 N/A TYR 216.A N MET 212.A O no hydrogen 3.068 N/A TYR 216.A OH HIS 152.A NE2 no hydrogen 2.960 N/A ARG 217.A N CYS 213.A O no hydrogen 2.838 N/A ARG 217.A NE GLN 158.A O no hydrogen 2.911 N/A ARG 217.A NH1 GLN 158.A O no hydrogen 2.907 N/A ARG 217.A NH1 GLU 164.A OE1 no hydrogen 3.256 N/A ARG 217.A NH1 GLU 164.A OE2 no hydrogen 2.831 N/A ARG 217.A NH2 GLU 164.A OE1 no hydrogen 2.808 N/A ARG 217.A NH2 GLU 214.A OE2 no hydrogen 2.830 N/A ALA 218.A N GLU 214.A O no hydrogen 2.771 N/A GLY 219.A N ASP 215.A O no hydrogen 2.890 N/A ALA 220.A N TYR 216.A O no hydrogen 2.983 N/A ALA 220.A N ARG 217.A O no hydrogen 3.053 N/A TYR 221.A N ALA 218.A O no hydrogen 3.177 N/A ASP 223.A N ALA 218.A O no hydrogen 2.838 N/A GLU 225.A N TYR 221.A O no hydrogen 3.051 N/A HIS 226.A N ALA 222.A O no hydrogen 2.886 N/A ASP 227.A N ASP 223.A O no hydrogen 2.968 N/A LYS 228.A N PHE 224.A O no hydrogen 2.833 N/A LYS 228.A NZ GLU 232.A OE1 no hydrogen 2.812 N/A LYS 228.A NZ GLU 232.A OE2 no hydrogen 3.399 N/A ILE 229.A N GLU 225.A O no hydrogen 3.016 N/A ASP 230.A N HIS 226.A O no hydrogen 3.388 N/A VAL 231.A N ASP 227.A O no hydrogen 2.962 N/A GLU 232.A N LYS 228.A O no hydrogen 2.891 N/A ALA 233.A N ILE 229.A O no hydrogen 2.937 N/A GLY 234.A N VAL 231.A O no hydrogen 3.069 N/A ASN 235.A N ASP 230.A O no hydrogen 2.954 N/A ASN 235.A ND2 ASP 230.A OD1 no hydrogen 2.924 N/A LYS 236.A NZ ARG 260.A O no hydrogen 2.849 N/A ILE 237.A N TRP 262.A O no hydrogen 2.736 N/A MET 241.A N ASP 265.A O no hydrogen 2.864 N/A LEU 242.A N LEU 127.A O no hydrogen 2.846 N/A ALA 243.A N GLN 267.A O no hydrogen 2.884 N/A LEU 244.A N VAL 129.A O no hydrogen 3.039 N/A TRP 245.A N ALA 269.A O no hydrogen 3.242 N/A GLY 246.A N ASP 131.A OD2 no hydrogen 2.908 N/A ALA 247.A N ILE 271.A O no hydrogen 2.952 N/A SER 248.A N SER 273.A O no hydrogen 2.834 N/A GLY 249.A N GLY 246.A O no hydrogen 2.883 N/A ILE 250.A N ASP 131.A OD1 no hydrogen 2.808 N/A THR 254.A OG1 ASP 257.A OD2 no hydrogen 3.428 N/A ASP 257.A N THR 254.A OG1 no hydrogen 3.106 N/A VAL 258.A N THR 254.A O no hydrogen 3.233 N/A TRP 259.A N PRO 255.A O no hydrogen 2.936 N/A TRP 259.A NE1 ILE 132.A O no hydrogen 2.865 N/A ARG 260.A N LEU 256.A O no hydrogen 3.045 N/A ARG 260.A NH2 ASP 257.A OD1 no hydrogen 2.719 N/A LYS 261.A N VAL 258.A O no hydrogen 3.079 N/A TRP 262.A N TRP 259.A O no hydrogen 2.845 N/A TRP 262.A NE1 GLU 137.A OE2 no hydrogen 2.978 N/A SER 264.A N ILE 237.A O no hydrogen 3.013 N/A SER 264.A OG ILE 237.A O no hydrogen 3.540 N/A GLN 267.A N MET 241.A O no hydrogen 2.982 N/A ALA 269.A N ALA 243.A O no hydrogen 3.180 N/A ILE 271.A N TRP 245.A O no hydrogen 2.920 N/A SER 273.A OG GLY 274.A O no hydrogen 2.883 N/A GLY 274.A N GLU 280.A OE1 no hydrogen 2.907 N/A HIS 275.A N TRP 182.A O no hydrogen 2.865 N/A HIS 275.A ND1 ASP 131.A OD1 no hydrogen 2.657 N/A PHE 276.A N GLU 280.A OE2 no hydrogen 2.911 N/A LEU 277.A N HIS 275.A O no hydrogen 2.973 N/A GLU 279.A N PHE 276.A O no hydrogen 3.115 N/A GLU 280.A N PHE 276.A O no hydrogen 2.909 N/A ALA 281.A N LEU 277.A O no hydrogen 2.853 N/A THR 285.A N ALA 281.A O no hydrogen 2.942 N/A THR 285.A OG1 LEU 277.A O no hydrogen 3.151 N/A THR 285.A OG1 ALA 281.A O no hydrogen 2.719 N/A ALA 286.A N PRO 282.A O no hydrogen 2.786 N/A GLU 287.A N ASP 283.A O no hydrogen 2.979 N/A ALA 288.A N GLN 284.A O no hydrogen 2.940 N/A LEU 289.A N THR 285.A O no hydrogen 3.084 N/A VAL 290.A N ALA 286.A O no hydrogen 2.907 N/A ARG 291.A N GLU 287.A O no hydrogen 2.947 N/A ARG 291.A NH2 GLU 287.A OE2 no hydrogen 2.892 N/A PHE 292.A N ALA 288.A O no hydrogen 2.956 N/A PHE 293.A N LEU 289.A O no hydrogen 2.921 N/A SER 294.A N VAL 290.A O no hydrogen 2.982 N/A SER 294.A OG VAL 290.A O no hydrogen 2.580 N/A ALA 295.A N ARG 291.A O no hydrogen 3.058 N/A